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Molecular recognition of Ca2+ cations by internal and external receptors/interfaces in a spherical porous molybdenum-oxide capsule: unusual coordination scenarios

The unique molybdenum-oxide capsule [{; ; ; ; ; (MoVI)MoVI 5O21(H2O)6}; ; ; ; ; 12{; ; ; ; ; MoV 2O4(SO4)}; ; ; ; ; 30]72− shows an unprecedented affinity towards Ca2+ cations which interact in fully or partially hydrated forms with different well- defined internal and external receptor areas via direct coordination and/or hydrogen bonds. The cavity of the capsule comprises an unusual “water assembly” of the Ca20{; ; ; ; ; H2O}; ; ; ; ; 60=Ca20{; ; ; ; ; (H2O)5}; ; ; ; ; 12 type. Altogether, we can refer to a unique solid-state structure.

molybdenum-oxide capsule ; molecular recognition ; Ca cations ; water assembly

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